%chk=000017563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017563

0 1
 O    1.278000     -5.0000002E-04 -0.9638000    
 O    1.917200      2.2000000E-03   1.271700    
 N    3.506500     -5.0000002E-04 -0.4183000    
 C   -2.023000       1.208000      5.0500002E-02
 C   -2.023300      -1.208000      5.0799999E-02
 C   -2.689700      1.9999999E-04  0.2555000    
 C  -2.3000000E-02 -3.9999999E-04 -0.5640000    
 C  -0.6897000       1.207700     -0.3594000    
 C  -0.6899000      -1.208400     -0.3590000    
 C   -2.735500       2.499700      0.2694000    
 C   -2.736000      -2.499400      0.2706000    
 C    2.220900     -3.0000001E-04  8.2400002E-02
 C    4.687400     -3.9999999E-04  0.4135000    
 H   -3.728100      3.0000001E-04  0.5787000    
 H  -0.1644000       2.146300     -0.5194000    
 H  -0.1648000      -2.147000     -0.5186000    
 H   -3.802700       2.405600      4.1400000E-02
 H   -2.625600       2.817300       1.311100    
 H   -2.337700       3.286400     -0.3808000    
 H   -2.339100      -3.286200     -0.3799000    
 H   -2.625300      -2.816900       1.312300    
 H   -3.803300      -2.405000      4.3600000E-02
 H    3.629300     -1.7000000E-03  -1.426100    
 H    5.270700     -0.8937000      0.1774000    
 H    4.428000      3.5000001E-03   1.474700    
 H    5.274600      0.8888000      0.1717000    


%chk=000017563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017563

0 1
O 1.336817 -0.000916 -0.842262
O 2.108635 0.000382 1.410409
N 3.565915 -0.000471 -0.441242
C -2.079475 1.239877 0.038435
C -2.079942 -1.239862 0.039195
C -2.751611 0.000174 0.186705
C -0.035971 -0.000523 -0.434045
C -0.699455 1.230012 -0.281974
C -0.699907 -1.230708 -0.281205
C -2.815840 2.553429 0.239295
C -2.816781 -2.553029 0.240838
C 2.339312 -0.000404 0.180275
C 4.820100 -0.000154 0.314531
H -3.823369 0.000449 0.424245
H -0.143268 2.164274 -0.413612
H -0.144068 -2.165260 -0.412262
H -3.882820 2.464857 -0.031061
H -2.770038 2.873401 1.298548
H -2.373837 3.363395 -0.366980
H -2.375641 -3.363302 -0.365662
H -2.770291 -2.872872 1.300101
H -3.883926 -2.463984 -0.028696
H 3.571211 -0.001130 -1.461299
H 5.422394 -0.901347 0.095612
H 4.568876 0.002860 1.387199
H 5.424479 0.898453 0.090913


